CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL

Sinem Erden GULEBAGLAN; Emel Kilit DOGAN; Murat AYCIBIN; Bahattin ERDİNÇ; Emma MCCABE; Duygu DURAN; Nurullah SECUK; Sinem GÜLEBAĞLAN; Emel DOĞAN; Murat AYCİBİN; Harun AKKUŞ

Makale detayları

CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL

Yazarlar:

Sinem Erden GULEBAGLAN | Emel Kilit DOGAN | Murat AYCIBIN | Bahattin ERDİNÇ | Emma MCCABE | Duygu DURAN | Nurullah SECUK | Sinem GÜLEBAĞLAN | Emel DOĞAN | Murat AYCİBİN | Harun AKKUŞ

Yayıncı:

Gazi University

Dergi:

Gazi University Journal of Science 2014 Vol.27 Issue 4, pp.1099-1103

Belge Tipi:

Makale

Yayın Tarihi:

8/2014

Belge Dili:

İngilizce

Document ID (Org No.):

2000429020

eISSN:

2147-1762

Özet:

 


In this study, the geometric structural optimization, electronic band structure and total density of states for electrons of ferroelectric Bi2NbO5F structure with space group Pca21 at room temperature have been investigated by Augmented Plane Wave method (APW) using the density functional theory (DFT) under the local density approximation (LDA). The ground state properties of ferroelectric Bi2NbO5F structure are studied. The computed ground state properties and experimental results are consistent. The energy band structure of Bi2NbO5F compound below Tc shows that it is a ferroelectric semiconductor with narrow band gap of 0.0589 eV. Unfortunately, there is neither experimental nor theoretical electronic band structure study of Bi2NbO5F crystal in the literature, so we could not compare our results. 

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Makale detayları

CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL

Yazarlar: Sinem Erden GULEBAGLAN | Emel Kilit DOGAN | Murat AYCIBIN | Bahattin ERDİNÇ | Emma MCCABE | Duygu DURAN | Nurullah SECUK | Sinem GÜLEBAĞLAN | Emel DOĞAN | Murat AYCİBİN | Harun AKKUŞ

Yayıncı: Gazi University

Dergi: Gazi University Journal of Science 2014 Vol.27 Issue 4, pp.1099-1103

Belge Tipi: Makale

Yayın Tarihi: 8/2014

Belge Dili: İngilizce

Document ID (Org No.): 2000429020

eISSN: 2147-1762

Sayı

Yazarlar:

Sinem Erden GULEBAGLAN | Emel Kilit DOGAN | Murat AYCIBIN | Bahattin ERDİNÇ | Emma MCCABE | Duygu DURAN | Nurullah SECUK | Sinem GÜLEBAĞLAN | Emel DOĞAN | Murat AYCİBİN | Harun AKKUŞ

Yayıncı:

Gazi University

Dergi:

Gazi University Journal of Science 2014 Vol.27 Issue 4, pp.1099-1103

Belge Tipi:

Makale

Yayın Tarihi:

8/2014

Belge Dili:

İngilizce

Document ID (Org No.):

2000429020

eISSN:

2147-1762